机器学习分子动力学辅助材料凝固形核研究进展

陈名毅, 胡俊伟, 余耀辰, 牛海洋

Advances in Machine Learning Molecular Dynamics to Assist Materials Nucleation and Solidification Research

CHEN Mingyi, HU Junwei, YU Yaochen, NIU Haiyang

图6 Ga的凝固行为研究[98]

Fig.6 Nucleation behaviors of Ga[98] (a) temperature vs critical sizes (Nc) of α-Ga and β-Ga (b) temperature vs nucleation free energy barriers (ΔG) of α-Ga and β-Ga